SCHEMBL363373

SCHEMBL363373

CCCCCCCCCC(=O)N[C@@H](CN1CCOCC1)[C@H](O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 9/20 1.00
KMT2A Q03164 3/20 1.00
MEN1 O00255 2/20 1.00
TP53 P04637 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
NFKB1 P19838 1/20 1.00
MAPK1 P28482 1/20 1.00
CYP2C19 P33261 1/20 1.00
HIF1A Q16665 1/20 1.00
MAPT P10636 1/20 1.00
MTOR P42345 1/20 1.00
GMNN O75496 1/20 0.98
LMNA P02545 1/20 0.98
BLM P54132 1/20 0.98
PMP22 Q01453 1/20 0.98
SMN1; SMN2 Q16637 1/20 0.98
NPSR1 Q6W5P4 1/20 0.98
HTR1A P08908 1/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL840939 1.00 UGCG (1.00) UGCGKMT2AMEN1TP53CYP3A4
SCHEMBL14304968 1.00 UGCG (1.00) UGCGKMT2AMEN1TP53CYP3A4
SCHEMBL12000798 1.00 UGCG (1.00) UGCGKMT2AMEN1TP53CYP3A4
SCHEMBL5452846 1.00 UGCG (1.00) UGCGKMT2AMEN1TP53CYP3A4
SCHEMBL295573 1.00 UGCG (1.00) UGCGKMT2AMEN1TP53CYP3A4
SCHEMBL23845860 1.00 UGCG (1.00) UGCGKMT2AMEN1TP53CYP3A4
SCHEMBL137622 1.00 UGCG (1.00) UGCGKMT2AMEN1TP53CYP3A4
SCHEMBL723342 1.00 UGCG (1.00) UGCGKMT2AMEN1TP53CYP3A4
SCHEMBL13460643 1.00 UGCG (1.00) UGCGKMT2AMEN1TP53CYP3A4
SCHEMBL13460354 1.00 UGCG (1.00) UGCGKMT2AMEN1TP53CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9314466-B2 Methods for treating cognitive disorders using 1-benzyl-1-hydroxy-2,3-diamino-propyl amines, 3-benzyl-3-hydroxy-2-amino-propionic acid amides and related compounds ALLERGAN, INC. (US) 2016-04-19 US disclosed
US-9303021-B2 Methods for treating cognitive disorders using 3-aryl-3-hydroxy-2-amino-propionic acid amides, 3-heteroaryl-3-hydroxy-2-amino-propionic acid amides and related compounds ALLERGAN, INC. (US) 2016-04-05 US disclosed
US-9278943-B2 Methods of using as analgesics 1-benzyl-1-hydroxy-2, 3-diamino-propyl amines, 3-benzyl-3-hydroxy-2-amino-propionic acid amides and related compounds EXONHIT THERAPEUTICS SA (FR) 2016-03-08 US disclosed
US-20160051555-A9 METHODS FOR TREATING COGNITIVE DISORDERS USING 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2016-02-25 US disclosed
US-20150231140-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2015-08-20 US disclosed
US-20140296287-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2014-10-02 US disclosed
US-20140179925-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2014-06-26 US disclosed
US-8623891-B2 Methods for treating cognitive disorders using 3-aryl-3-hydroxy-2-amino-propionic acid amides, 3-heteroaryl-3-hydroxy-2-amino-propionic acid amides and related compounds ALLERGAN, INC. (US) 2014-01-07 US disclosed
US-20120225881-A1 METHODS OF USING AS ANALGESICS 1-BENZYL-1-HYDROXY-2, 3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYRDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. 2012-09-06 US disclosed
EP-2198864-B1 Pharmaceutical compositions having an analgesic effect and containing 1-benzyl-1-hydroxy-2,3-diamino-propyl amines, 3-benzyl-3-hydroxy-2-amino propionic acid amides or related compounds ALLERGAN INC (US) 2012-03-14 EP disclosed
US-20100190792-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC 2010-07-29 US disclosed
US-20100093793-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2010-04-15 US disclosed
EP-1841423-B1 USE OF 1- BENZYL-1- HYDROXY-2, 3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO PROPIONIC ACID AMIDES AND RELATED COMPOUNDS AS ANALGESICS ALLERGAN INC (US) 2010-03-10 EP disclosed
US-20090088433-A1 METHODS OF USING AS ANALGESICS 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. 2009-04-02 US disclosed
WO-2008109287-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2008-09-12 WO disclosed
WO-2008109610-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2008-09-12 WO disclosed
WO-2008011478-A2 METHODS FOR TREATING CHRONIC PAIN USING 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2008-01-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090088433-A1 METHODS OF USING AS ANALGESICS 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS OPRL1, OPRK1, AADAT UGCG 4208/4885KMT2A 1681/4885MEN1 3687/4885
US-20100190792-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS SLC1A2, SLC1A1, GRIN2A UGCG 3688/4885KMT2A 614/4885MEN1 2562/4885
US-20140179925-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS SLC1A2, GRIN2C, GRIN2A UGCG 2265/4885KMT2A 797/4885MEN1 3211/4885
US-20140296287-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS SLC1A2, GRIN2C, GRIN2A UGCG 2265/4885KMT2A 797/4885MEN1 3211/4885
US-20150231140-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS SLC1A2, GRIN2A, GRIN2C UGCG 2681/4885KMT2A 536/4885MEN1 2392/4885
US-20160051555-A9 METHODS FOR TREATING COGNITIVE DISORDERS USING 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS SLC1A2, GRIN2A, GRIN2C UGCG 2681/4885KMT2A 536/4885MEN1 2392/4885
US-20100093793-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS SLC1A2, AADAT, AANAT UGCG 2208/4885KMT2A 847/4885MEN1 3338/4885
US-20120225881-A1 METHODS OF USING AS ANALGESICS 1-BENZYL-1-HYDROXY-2, 3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYRDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS OPRK1, OPRL1, HRH2 UGCG 4134/4885KMT2A 2098/4885MEN1 3900/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.